UCSF

ZINC36636810

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.44 5.74 -19.45 2 9 0 114 409.475 8
Lo Low (pH 4.5-6) 1.44 6.15 -51.7 3 9 1 115 410.483 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )